2-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]iminomethyl]-6-nitro-phenolate

Systemtic Name: 2-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]iminomethyl]-6-nitro-phenolate Openeye Name: 2-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]iminomethyl]-6-nitro-phenolate CAS Name: 2-[[4-(4-ethyl-1-piperazin-4-iumyl)phenyl]iminomethyl]-6-nitrophenolate IUPAC Name: 2-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]iminomethyl]-6-nitrophenolate Traditional Name: 2-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]iminomethyl]-6-nitro-phenolate Formula: C19H22N4O3 MolecularWeight: 354.40298

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)N=CC3=C(C(=CC=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)N=CC3=C(C(=CC=C3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C19H22N4O3/c1-2-21-10-12-22(13-11-21)17-8-6-16(7-9-17)20-14-15-4-3-5-18(19(15)24)23(25)26/h3-9,14,24H,2,10-13H2,1H3